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Ethyl 3,7,11-trimethyldodeca-2,6,10-trienoate

HCID 549655
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
20085-73-8
Standard SMILES
CCOC(=O)C=C(C)CCC=C(C)CCC=C(C)C
InChIKey
RAVLTUCAFRTDRY-UHFFFAOYSA-N
Molecular formula
C17H28O2
Average molar mass
264.4 g/mol
Monoisotopic mass
264.20893013

Names & identifiers

Preferred name
Ethyl 3,7,11-trimethyldodeca-2,6,10-trienoate
IUPAC
ethyl 3,7,11-trimethyldodeca-2,6,10-trienoate
English name
(2Z,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrienoic acid ethyl ester
Molecular formula
C17H28O2
Molecular weight
264.4

Names & synonyms

20085-73-8ethyl farnesoateSCHEMBL6061058ETHYL 3,7,11-TRIMETHYLDODECA-2,6,10-TRIENOATEDTXSID10942109RAVLTUCAFRTDRY-UHFFFAOYSA-Nethyl-3,7,11-trimethyldodeca-2,6,10-trienoate(2Z,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrienoic acid ethyl ester2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, ethyl ester, (2Z,6Z)-

Database identifiers

CAS
20085-73-8
PubChem CID
549655
DTXSID
DTXSID10942109

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
19
Formal charge
0
Complexity
355

Related reactions

3 records
New reaction record
HRID 97585 reaction equation
HRID 97585As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1112622 reaction equation
HRID 1112622As productuspto-grants-1978_10
HRID 1764151 reaction equation
HRID 1764151As productuspto-grants-1978_09

Compound notes

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